CID 123941126

C20H23F3NO4Si — CID 123941126

IUPAC—
SMILESCC[Si](O)c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H23F3NO4Si/c1-3-29(26)15-6-7-17(27-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)28-12-20(21,22)23/h6-10,13,26H,3-5,11-12H2,1-2H3
InChIKeyYJFAGGGDGOSSDZ-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.99
Rot. Bonds8

About CID 123941126

CID 123941126 (PubChem CID 123941126) has the molecular formula C20H23F3NO4Si and a molecular weight of 426.49 g/mol.

Molecular Properties

Compound NameCID 123941126
PubChem CID123941126
Molecular FormulaC20H23F3NO4Si
Molecular Weight426.49 g/mol
Exact Mass426.13
IUPAC Name—
SMILESCC[Si](O)c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H23F3NO4Si/c1-3-29(26)15-6-7-17(27-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)28-12-20(21,22)23/h6-10,13,26H,3-5,11-12H2,1-2H3
InChIKeyYJFAGGGDGOSSDZ-UHFFFAOYSA-N
XLogP2.99
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 123941126?
The IUPAC name of CID 123941126 (CID 123941126) is not available.
What is the SMILES notation for CID 123941126?
The canonical SMILES for CID 123941126 is CC[Si](O)c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1.
What is the InChIKey of CID 123941126?
The InChIKey is YJFAGGGDGOSSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3NO4Si/c1-3-29(26)15-6-7-17(27-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)28-12-20(21,22)23/h6-10,13,26H,3-5,11-12H2,1-2H3.
What are the key properties of CID 123941126?
CID 123941126 has a molecular weight of 426.49 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123941126 is sourced from PubChem (CID 123941126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).